1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-[4-(4-methylpiperazino)cyclohexyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C28H33N7O MolecularWeight: 483.60792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

InChI

InChI=1S/C28H33N7O/c1-33-15-17-34(18-16-33)21-9-11-22(12-10-21)35-28-25(27(29)30-19-31-28)26(32-35)20-7-13-24(14-8-20)36-23-5-3-2-4-6-23/h2-8,13-14,19,21-22H,9-12,15-18H2,1H3,(H2,29,30,31)